(RS)-2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCCC1Cc1nc2cc(F)c(F)cc2[nH]1- InChIKey
BBIFJEMNSLZYAI-UHFFFAOYSA-N- Molecular formula
- C18H23F2N3O2
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- (RS)-2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1257134BBIFJEMNSLZYAI-UHFFFAOYSA-N(RS)-2-(5,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66968258
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Related reactions
10 records
Compound notes
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